Geometry & MOs

Info

ID:

446107

PubChem CID:

135272414

Reduced:

N3O6C12H23 (2)

Stoich.:

A3B6C12D23 (2)

Weight, g/mol:

595.317705

ΔHf, kcal/mol:

-557.68

Dipole, Da:

2.61

IP(EA), eV:

 -9.61(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S)-6-[[(8aS)-7-amino-4-hydroxy-3-(methylamino)-6-[(1R,2R)-2,4,6-triamino-3-hydroxycyclohexyl]oxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]-2-aminoacetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H]1[C@@H](C(C(OC1CO)OC2C(C(C3[C@@H](O2)CC(C(O3)O[C@@H]4[C@@H](C(C(CC4N)N)O)O)N)O)NC)O)O)N

DOS

IR

Vibrations